(3R,5R)-7-[(1R,2R,6S,8S,8aR)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-3,5,6-tris(oxidanyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: (3R,5R)-7-[(1R,2R,6S,8S,8aR)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-3,5,6-tris(oxidanyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: (3R,5R)-7-[(1R,2R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid CAS Name: (3R,5R)-7-[(1R,2R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid IUPAC Name: (3R,5R)-7-[(1R,2R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid Traditional Name: (3R,5R)-7-[(1R,2R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid Formula: C23H38O9 MolecularWeight: 458.54242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(C(C2C1C(C(C(=C2)O)C)CCC(CC(CC(=O)O)O)O)O)O

Isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@@H](C(C2[C@H]1[C@H]([C@H](C(=C2)O)C)CC[C@H](C[C@H](CC(=O)O)O)O)O)O

InChI

InChI=1S/C23H38O9/c1-4-11(2)23(31)32-19-10-18(27)22(30)16-9-17(26)12(3)15(21(16)19)6-5-13(24)7-14(25)8-20(28)29/h9,11-16,18-19,21-22,24-27,30H,4-8,10H2,1-3H3,(H,28,29)/t11-,12+,13+,14+,15-,16?,18-,19-,21+,22?/m0/s1